Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.75 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.75 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.75 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.75 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.75 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.75 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9842797 | 0.98 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842849 | 0.97 | PDE4A (0.70) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842873 | 0.93 | PDE4A (0.64) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842799 | 0.89 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842825 | 0.89 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842813 | 0.89 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842769 | 0.87 | PDE4A (0.67) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9842893 | 0.86 | PDE4A (0.66) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Denbufylline SCHEMBL7299526 | 0.86 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| Denbufylline SCHEMBL127152 | 0.86 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0430025-A2 | Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same | HOKURIKU PHARMACEUTICAL CO., LTD. (JP) | 1991-06-05 | — | — | EP | claimed |